Molecule

ID:42747

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O
Molecular Mass
280.3642
Exact Mass
280.15756327
Charge
0
InChI
InChI=1S/C18H20N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2
InChIKey
BDEPGTDKVXMYQP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(c2c(C=O)cccc2)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6124928
LogD (pH = 7.4)
3.1317742
Log P
3.3653848
Molar Refractivity
87.7333
Polarizability
32.989285
Polar Surface Area
23.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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